SCHEMBL20170745

SCHEMBL20170745

C=CCN(CC)C1Cc2ccc(OC)c3c2C2[C@H](O3)[C@@H](O)CC[C@@]21O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.42
OPRM1 P35372 6/20 0.36
ACHE P22303 1/20 0.32
HTR1A P08908 1/20 0.31
OPRD1 P41143 2/20 0.31
OPRK1 P41145 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20170680 0.82 HCRTR1 (0.38) HCRTR1OPRM1HTR1AOPRD1OPRK1
SCHEMBL20170855 0.82 HCRTR1 (0.35) HCRTR1OPRM1ACHEHTR1AOPRD1
SCHEMBL14617396 0.82 HTR1D (0.33) HCRTR1OPRM1HTR1AOPRD1OPRK1
SCHEMBL12945079 0.81 HCRTR1 (0.44) HCRTR1OPRM1HTR1AOPRD1OPRK1
SCHEMBL14161147 0.77 HCRTR1 (0.40) HCRTR1
SCHEMBL18473483 0.76 HCRTR1 (0.46) HCRTR1OPRM1OPRD1OPRK1
SCHEMBL14161022 0.75 HCRTR1 (0.37) HCRTR1OPRM1OPRD1OPRK1
SCHEMBL12945081 0.74 OPRD1 (0.40) OPRM1OPRD1OPRK1
SCHEMBL13151725 0.73 OPRM1 (0.36) HCRTR1OPRM1OPRD1OPRK1
SCHEMBL13067353 0.73 OPRM1 (0.36) HCRTR1OPRM1OPRD1OPRK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2453895-B1 (+) - MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF MALLINCKRODT LLC (US) 2018-05-23 EP disclosed